0 mol 28 unq 0 iso 0 dist 9.27002 5.56363 5.65894 10.811 6.49254 5.38074 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.27002 5.56363 5.65894 14.4541 9.65277 9.07545 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.27002 5.56363 5.65894 9.60216 10.9474 6.77538 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 5.90391 5.19805 6.94727 10.7998 9.16258 7.95778 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 8.82771 5.48117 6.94727 13.1227 9.16258 7.95778 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 7.24782 11.7062 6.84652 13.1207 8.45877 8.65019 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 5.95004 9.66329 6.84652 13.98 8.45877 8.65019 numMergedOcc 0
7 mol 52 unq 2 iso 0 dist 8.38301 9.66329 7.46764 13.98 11.107 8.65019 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.39015 5.30537 9.43446 11.0154 12.9276 7.4219 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 8.39015 5.30537 9.43446 12.2901 13.309 7.30343 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.41868 4.57308 4.9128 13.9621 7.13575 9.41723 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 4.95086 5.16833 5.96285 11.7393 9.78167 7.01133 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 8.39524 8.80049 5.96285 10.0165 9.78167 7.01133 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 9.17063 9.61315 9.25763 14.649 10.3324 7.54706 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 9.99332 9.61315 9.63102 14.649 8.36814 7.54706 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 7.2067 4.18777 6.84347 10.4239 10.9098 7.01126 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 7.2067 4.18777 6.84347 9.47843 5.31207 6.58434 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 7.82796 7.66936 8.3134 11.5893 8.88917 5.98771 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 9.16852 11.477 7.20955 16.2465 7.98055 8.76185 numMergedOcc 0
19 mol 193 unq 1 iso 0 dist 8.6538 9.308 7.20955 15.3491 7.98055 8.76185 numMergedOcc 0
20 mol 193 unq 2 iso 0 dist 5.19654 6.6036 7.20955 7.46207 7.98055 8.76185 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 5.69733 5.24956 6.35728 7.30003 5.20422 5.10114 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 7.99145 10.2228 8.34104 11.0495 7.69431 7.1372 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 8.8978 12.7871 8.79054 9.2457 4.7189 9.06084 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.42812 7.4578 6.73204 11.6144 8.7465 7.25677 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 9.42812 7.4578 6.73204 8.06182 11.1293 6.73126 numMergedOcc 0
